1-(3,4-dimethylphenyl)-3-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[[4-[(3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]thiourea Formula: C22H21N5O5S2 MolecularWeight: 499.56264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N5O5S2/c1-14-6-9-18(12-15(14)2)23-22(33)25-24-21(28)16-7-10-17(11-8-16)26-34(31,32)20-5-3-4-19(13-20)27(29)30/h3-13,26H,1-2H3,(H,24,28)(H2,23,25,33)